%chk=000251009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251009

0 1
O -3.820639 -1.107782 -0.511637
O -1.913998 -2.793111 -0.851748
N 1.568602 -0.528993 0.137332
N -2.387615 2.003399 0.616197
C 1.761315 0.533756 -0.891745
C 2.840168 -1.124199 0.673974
C 2.833564 1.596535 -0.596263
C 3.975196 -1.226604 -0.355798
C 4.209516 1.204253 -1.147966
C 4.853943 0.030394 -0.400372
C 0.724792 -0.052993 1.288316
C -0.675765 0.281495 0.834638
C -1.561966 -0.692236 0.324769
C -1.128942 1.603697 0.954769
C -2.860709 -0.282676 -0.013270
C -1.138829 -2.125723 0.172761
C -3.255253 1.089008 0.142962
C -4.638344 1.519521 -0.207709
H 0.781540 1.030423 -1.069840
H 2.002931 0.002546 -1.841210
H 2.563248 -2.150476 1.010555
H 3.214812 -0.583914 1.571744
H 2.900472 1.785268 0.491287
H 2.523783 2.560262 -1.045465
H 3.566055 -1.446969 -1.361288
H 4.605811 -2.100565 -0.097101
H 4.886739 2.079999 -1.097753
H 4.121698 0.957270 -2.224443
H 5.818304 -0.218398 -0.886855
H 5.112917 0.342905 0.630179
H 1.176503 0.818871 1.815003
H 0.670329 -0.871701 2.043911
H -0.477650 2.397456 1.335370
H -0.064074 -2.228729 -0.085332
H -1.369144 -2.719096 1.080047
H -4.689913 2.595782 -0.430052
H -5.019523 0.965346 -1.079430
H -5.328587 1.323820 0.627433
H -3.482335 -2.073926 -0.601848
H -1.654051 -2.448315 -1.737121


%chk=000251009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251009

0 1
O -3.803409 -1.174785 -0.579155
O -1.703035 -2.700031 -1.078958
N 1.581773 -0.442834 0.188730
N -2.518007 2.000336 0.753900
C 1.764453 0.568818 -0.889032
C 2.819944 -1.070764 0.736224
C 2.903999 1.612073 -0.696827
C 3.953473 -1.303871 -0.287538
C 4.262969 1.117170 -1.248755
C 4.883002 -0.078499 -0.487133
C 0.714847 0.025419 1.309537
C -0.716501 0.332821 0.891907
C -1.581105 -0.655010 0.342128
C -1.239831 1.634262 1.069816
C -2.903172 -0.269920 -0.016019
C -1.159138 -2.105194 0.185295
C -3.351847 1.066250 0.214221
C -4.763505 1.469813 -0.132856
H 0.793809 1.085400 -0.997759
H 1.942869 0.039488 -1.846536
H 2.520109 -2.041101 1.184132
H 3.243716 -0.459731 1.573713
H 2.995727 1.887144 0.374249
H 2.623780 2.540954 -1.232006
H 3.530481 -1.642526 -1.253921
H 4.571556 -2.142545 0.089282
H 4.991711 1.952337 -1.245296
H 4.118039 0.834604 -2.312773
H 5.795112 -0.401633 -1.027852
H 5.219929 0.262194 0.514168
H 1.138785 0.927995 1.815739
H 0.718866 -0.779718 2.072281
H -0.607223 2.427310 1.487725
H -0.059805 -2.190681 0.191480
H -1.602148 -2.741447 0.971857
H -4.897411 2.542157 0.076575
H -4.983822 1.265407 -1.196758
H -5.498777 0.886393 0.451968
H -3.275857 -1.977515 -0.903381
H -1.179455 -2.354941 -1.845375


